ChemSpider 2D Image | detrothyronine | C15H12I3NO4

detrothyronine

  • Molecular FormulaC15H12I3NO4
  • Average mass650.974 Da
  • Monoisotopic mass650.790039 Da
  • ChemSpider ID64347

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

227-203-9 [EINECS]
3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-D-alanine
5714-08-9 [RN]
D-Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-
detrothyronine [INN]
détrothyronine [French] [INN]
detrothyroninum [Latin] [INN]
detrotironina [Spanish] [INN]
DT 3
D-Triiodothyronine
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1008 [DBID]
46XII7C16X [DBID]
NCGC00016993-01 [DBID]
NSC 46046 [DBID]
UNII:46XII7C16X [DBID]
UNII-46XII7C16X [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point: 563.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.6±30.1 °C
Index of Refraction: 1.763
Molar Refractivity: 112.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 13.21
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 10.87
Polar Surface Area: 93 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 272.7±3.0 cm3

Click to predict properties on the Chemicalize site


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